You haven't included the whole molecule - the bonds are missing. Try again. It would be better to attach files rather than pasting ttext into emails to avoid corruption.
Chris On 12/12/2011 10:01, Jochen Schreiber wrote: > Hello, > > sry i havnt seen the posts. > > Here is the head output from the join.txt: > > 1 > OpenBabel12081111222D > > 31 30 0 0 0 0 0 0 0 0999 V2000 > 2.8660 0.7500 0.0000 O 0 0 0 0 0 > 2.8660 -2.2500 0.0000 O 0 0 0 0 0 > 2.0000 -0.7500 0.0000 O 0 0 0 0 0 > 3.7320 2.2500 0.0000 O 0 0 0 0 0 > 5.4641 0.2500 0.0000 N 0 0 0 0 0 > 4.5981 0.7500 0.0000 C 0 0 0 0 0 > > And here is a head output from an specific Compund.sdf file: > > 1 > -OEChem-11171106132D > > 31 30 0 1 0 0 0 0 0999 V2000 > 2.8660 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 > 2.8660 -2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 > 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 > 3.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 > 5.4641 0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 > 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 > > Does this help? Is there an error cause if the "-"- symbol? > > Greetz > > ------------------------------------------------------------------------------ > Learn Windows Azure Live! Tuesday, Dec 13, 2011 > Microsoft is holding a special Learn Windows Azure training event for > developers. It will provide a great way to learn Windows Azure and what it > provides. You can attend the event by watching it streamed LIVE online. > Learn more at http://p.sf.net/sfu/ms-windowsazure > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Learn Windows Azure Live! Tuesday, Dec 13, 2011 Microsoft is holding a special Learn Windows Azure training event for developers. It will provide a great way to learn Windows Azure and what it provides. You can attend the event by watching it streamed LIVE online. Learn more at http://p.sf.net/sfu/ms-windowsazure _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
